Information card for entry 4119847

Structure parameters

• Formula: C30 H35 F9 N3 Ni O0.5 P
• Calculated formula: C30 H35 F9 N3 Ni O0.5 P
• Title of publication: A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species
• Authors of publication: Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8141 - 8144
• a: 12.69 ± 0.0012 Å
• b: 15.1528 ± 0.0012 Å
• c: 33.412 ± 0.002 Å
• α: 90°
• β: 93.893 ± 0.002°
• γ: 90°
• Cell volume: 6409.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1796
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.3057
• Weighted residual factors for all reflections included in the refinement: 0.3392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No